Information card for entry 4502080

Structure parameters

• Formula: C36 H36 N8 O8 Rh2
• Calculated formula: C36 H36 N8 O8 Rh2
• SMILES: c1(cccc[n]1[Rh]1234[O]=C(C)O[Rh]4([n]4c(Cn5nnc(c6ccccc6)c5)cccc4)([O]=C(C)O1)(OC(=[O]3)C)[O]=C(O2)C)Cn1cc(nn1)c1ccccc1
• Title of publication: Pyridyl Conjugated 1,2,3-Triazole is a Versatile Coordination Ability Ligand Enabling Supramolecular Associations
• Authors of publication: Urankar, Damijana; Pevec, Andrej; Turel, Iztok; Košmrlj, Janez
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4920
• a: 11.3516 ± 0.0002 Å
• b: 11.8429 ± 0.0002 Å
• c: 14.6615 ± 0.0003 Å
• α: 90°
• β: 108.21 ± 0.001°
• γ: 90°
• Cell volume: 1872.32 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No